canSAR2161868
FEATURES
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NAMES
    SMILES
    N=C(O)n1cc(N=C(O)N2[C@H]3C[C@H]3C[C@@H]2C(O)=NCCOC(F)(F)F)c2ccccc21
    InChI
    InChI=1S/C19H20F3N5O4/c20-19(21,22)31-6-5-24-16(28)15-8-10-7-14(10)27(15)18(30)25-12-9-26(17(23)29)13-4-2-1-3-11(12)13/h1-4,9-10,14-15H,5-8H2,(H2,23,29)(H,24,28)(H,25,30)/t10-,14-,15+/m0/s1
    MOLECULAR FORMULA
    C19H20F3N5O4
    CROSS REFERENCES
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    canSAR2161868
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight439.15
    AlogP3.48
    HBond donors4
    HBond acceptors9
    Atoms51
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2161868.